4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate
TL;DR: 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate (CAS 87198-89-8) is a chemical compound with molecular formula C28H23FN2O9S and molecular weight 582.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
Also Known As: Acridinium C2NHS ester, 4- phenyl-10-methylacridinium-9-carboxylate, 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate, Acridinium, 9-((4-(3-((2,5-dioxo-1-pyrrolidinyl)oxy)-3-oxopropyl)phenoxy)carbonyl)-10-methyl-, fluorosulfate, 9-[(4-{3-[(2,5-Dioxopyrrolidin-1-yl)oxy]-3-oxopropyl}phenoxy)carbonyl]-10-methylacridin-10-ium sulfurofluoridate
| Molecular Formula | C28H23FN2O9S |
|---|---|
| Molecular Weight | 582.11 g/mol |
| LogP | 2.9926 |
| Topological Polar Surface Area | 159.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 8 |
| Exact Mass | 582.11084 |
| Heavy Atoms | 41 |
| Complexity | 892.0 |
Chemical Identifiers
| CAS Number | 87198-89-8 |
|---|---|
| SMILES | C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C(=O)OC4=CC=C(C=C4)CCC(=O)ON5C(=O)CCC5=O.[O-]S(=O)(=O)F |
| InChIKey | IIEBYJYWJZASMK-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate (CAS 87198-89-8), with molecular formula C28H23FN2O9S and molecular weight 582.11 g/mol.
Chemical Property Profile of 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate
Property Insights of 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate
The XLogP value of 2.9926 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate. The TPSA of 159.0 Ų indicates high polarity, suggesting 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate?
The CAS number of 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate is 87198-89-8.
What is the molecular formula of 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate?
The molecular formula of 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate is C28H23FN2O9S.
What is the molecular weight of 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate?
The molecular weight of 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate is 582.11 g/mol.
Where can I buy 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate?
You can request a quote for 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Succinimidyloxycarbonylethyl)phenyl-10-methylacridinium-9-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.